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At least 937 records · Page 52
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DOE OSTI2020

Materials Data on Sr2Mg by Materials Project

Sr2Mg1 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded to twelve Sr atoms to form a mixture of face, edge, and corner-sharing SrSr12 cuboctahedra. All Sr–Sr bond lengths are 4.26 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to three equivalent Sr and three equivalent Mg atoms. All Sr–Mg bond lengths are 3.59 Å. In the third Sr site, Sr is bonded in a 6-coordinate geometry to six equivalent Mg atoms. All Sr–Mg bond lengths are 3.58 Å. Mg is bonded in a 6-coordinate geometry to six Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2Al7Ge by Materials Project

Sr2Al7Ge crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to twelve Al and four equivalent Ge atoms. There are a spread of Sr–Al bond distances ranging from 3.42–3.57 Å. All Sr–Ge bond lengths are 3.42 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to sixteen Al atoms. There are a spread of Sr–Al bond distances ranging from 3.42–3.57 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to four Sr, two equivalent Al, and two equivalent Ge atoms. Both Al–Al bond lengths are 2.66 Å. Both Al–Ge bond lengths are 2.68 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four Sr and four Al atoms. All Al–Al bond lengths are 2.67 Å. In the third Al site, Al is bonded in a 9-coordinate geometry to four equivalent Sr and five Al atoms. The Al–Al bond length is 2.63 Å. In the fourth Al site, Al is bonded in a 9-coordinate geometry to four equivalent Sr and five Al atoms. In the fifth Al site, Al is bonded in a distorted single-bond geometry to four equivalent Sr, four equivalent Al, and one Ge atom. The Al–Ge bond length is 2.61 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sr and five Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr5ZnCd4 by Materials Project

Sr5Cd4Zn is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Zn atoms. All Sr–Cd bond lengths are 3.54 Å. All Sr–Zn bond lengths are 3.45 Å. In the second Sr site, Sr is bonded in a body-centered cubic geometry to eight Cd atoms. All Sr–Cd bond lengths are 3.50 Å. In the third Sr site, Sr is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Sr–Cd bond lengths are 3.50 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a body-centered cubic geometry to eight Sr atoms. In the second Cd site, Cd is bonded in a body-centered cubic geometry to eight Sr atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2LiMgSi3 by Materials Project

LiSr2MgSi3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to two equivalent Sr, one Mg, and four Si atoms. Both Li–Sr bond lengths are 3.19 Å. The Li–Mg bond length is 2.82 Å. There are a spread of Li–Si bond distances ranging from 2.76–2.86 Å. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Sr–Si bond distances ranging from 3.23–3.36 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to two equivalent Li, three equivalent Mg, and six Si atoms. There are one shorter (3.30 Å) and two longer (3.33 Å) Sr–Mg bond lengths. There are a spread of Sr–Si bond distances ranging from 3.24–3.35 Å. Mg is bonded in a 12-coordinate geometry to one Li, three equivalent Sr, and four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–2.86 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Li, three Sr, and three equivalent Mg atoms. In the second Si site, Si is bonded in a 1-coordinate geometry to six Sr, one Mg, and two equivalent Si atoms. There are one shorter (2.38 Å) and one longer (2.40 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 1-coordinate geometry to one Li, six Sr, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2P7Rh12 by Materials Project

Sr2Rh12P7 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to twelve Rh and six equivalent P atoms to form distorted SrP6Rh12 cuboctahedra that share corners with six equivalent SrP6Rh6 cuboctahedra, corners with three equivalent PRh6 octahedra, corners with twelve RhSrP4 tetrahedra, edges with three equivalent RhSrP4 tetrahedra, and faces with two equivalent SrP6Rh12 cuboctahedra. The corner-sharing octahedral tilt angles are 23°. There are a spread of Sr–Rh bond distances ranging from 3.13–3.43 Å. There are three shorter (3.09 Å) and three longer (3.10 Å) Sr–P bond lengths. In the second Sr site, Sr is bonded to six equivalent Rh and six equivalent P atoms to form distorted SrP6Rh6 cuboctahedra that share corners with six equivalent SrP6Rh12 cuboctahedra, corners with twelve RhSrP4 tetrahedra, edges with three equivalent RhP4 tetrahedra, and faces with two equivalent SrP6Rh6 cuboctahedra. All Sr–Rh bond lengths are 3.13 Å. There are three shorter (3.09 Å) and three longer (3.10 Å) Sr–P bond lengths. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded to one Sr and four P atoms to form distorted RhSrP4 tetrahedra that share corners with four SrP6Rh12 cuboctahedra, corners with nine RhSrP4 tetrahedra, an edgeedge with one SrP6Rh12 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.32–2.51 Å. In the second Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four SrP6Rh12 cuboctahedra, corners with seven RhSrP4 tetrahedra, an edgeedge with one SrP6Rh6 cuboctahedra, and edges with two equivalent RhSrP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.33–2.52 Å. In the third Rh site, Rh is bonded in a 12-coordinate geometry to three Sr and four P atoms. There are a spread of Rh–P bond distances ranging from 2.41–2.53 Å. In the fourth Rh site, Rh is bonded in a 12-coordinate geometry to two equivalent Sr and four P atoms. There are a spread of Rh–P bond distances ranging from 2.41–2.53 Å. There are three inequivalent P sites. In the first P site, P is bonded to six Rh atoms to form distorted PRh6 octahedra that share corners with three equivalent SrP6Rh12 cuboctahedra. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Sr and seven Rh atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Sr and seven Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2(AlAg)5 by Materials Project

Sr2(AgAl)5 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted hexagonal planar geometry to six Ag and twelve Al atoms. There are two shorter (3.17 Å) and four longer (3.23 Å) Sr–Ag bond lengths. There are four shorter (3.56 Å) and eight longer (3.66 Å) Sr–Al bond lengths. In the second Sr site, Sr is bonded in a 6-coordinate geometry to ten Ag and eight equivalent Al atoms. There are a spread of Sr–Ag bond distances ranging from 3.32–3.56 Å. All Sr–Al bond lengths are 3.63 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 11-coordinate geometry to three Sr, two equivalent Ag, and four equivalent Al atoms. Both Ag–Ag bond lengths are 2.91 Å. All Ag–Al bond lengths are 2.73 Å. In the second Ag site, Ag is bonded in a 12-coordinate geometry to three Sr and six Al atoms. There are four shorter (2.77 Å) and two longer (2.81 Å) Ag–Al bond lengths. In the third Ag site, Ag is bonded to four equivalent Sr, four equivalent Ag, and four equivalent Al atoms to form AgSr4Al4Ag4 cuboctahedra that share corners with four equivalent AgSr4Al4Ag4 cuboctahedra, corners with four equivalent AlSr4Al4Ag4 cuboctahedra, edges with two equivalent AgSr4Al4Ag4 cuboctahedra, and faces with two equivalent AgSr4Al4Ag4 cuboctahedra. All Ag–Al bond lengths are 2.85 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Sr, four equivalent Ag, and four equivalent Al atoms to form distorted AlSr4Al4Ag4 cuboctahedra that share corners with four equivalent AgSr4Al4Ag4 cuboctahedra, corners with four equivalent AlSr4Al4Ag4 cuboctahedra, edges with two equivalent AlSr4Al4Ag4 cuboctahedra, and faces with two equivalent AlSr4Al4Ag4 cuboctahedra. All Al–Al bond lengths are 2.87 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four Sr, five Ag, and three Al atoms. There are one shorter (2.74 Å) and one longer (2.77 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr14Nb6O29 by Materials Project

Sr14Nb6O29 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are fourteen inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–3.14 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.68 Å. In the third Sr2+ site, Sr2+ is bonded to six O2- atoms to form distorted SrO6 square pyramids that share a cornercorner with one SrO6 octahedra, corners with three equivalent NbO6 octahedra, a cornercorner with one NbO5 trigonal bipyramid, and an edgeedge with one NbO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 18–39°. There are a spread of Sr–O bond distances ranging from 2.39–3.22 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.84 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.71 Å. In the sixth Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with three equivalent NbO6 octahedra and corners with three equivalent NbO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 16–39°. There are a spread of Sr–O bond distances ranging from 2.44–2.70 Å. In the seventh Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.75 Å. In the eighth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.65 Å. In the ninth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–3.06 Å. In the tenth Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with three equivalent NbO6 octahedra and corners with three equivalent NbO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 21–29°. There are a spread of Sr–O bond distances ranging from 2.43–2.64 Å. In the eleventh Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.37–2.53 Å. In the twelfth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.86 Å. In the thirteenth Sr2+ site, Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with three equivalent NbO6 octahedra, a cornercorner with one SrO6 square pyramid, and corners with three equivalent NbO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 22–28°. There are a spread of Sr–O bond distances ranging from 2.41–2.71 Å. In the fourteenth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.78 Å. There are six inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to five O2- atoms to form distorted NbO5 trigonal bipyramids that share corners with three equivalent SrO6 octahedra, a cornercorner with one SrO6 square pyramid, and an edgeedge with one SrO6 square pyramid. The corner-sharing octahedra tilt angles range from 44–59°. There are a spread of Nb–O bond distances ranging from 1.91–2.01 Å. In the second Nb5+ site, Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.84–2.20 Å. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent SrO6 octahedra and corners with three equivalent SrO6 square pyramids. The corner-sharing octahedra tilt angles range from 16–39°. There are a spread of Nb–O bond distances ranging from 2.00–2.11 Å. In the fourth Nb5+ site, Nb5+ is bonded to five O2- atoms to form distorted NbO5 trigonal bipyramids that share corners with three equivalent SrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of Nb–O bond distances ranging from 1.88–2.04 Å. In the fifth Nb5+ site, Nb5+ is bonded to five O2- atoms to form distorted NbO5 trigonal bipyramids that share corners with three equivalent SrO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of Nb–O bond distances ranging from 1.89–2.12 Å. In the sixth Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six SrO6 octahedra. The corner-sharing octahedra tilt angles range from 21–29°. There are a spread of Nb–O bond distances ranging from 2.00–2.09 Å. There are twenty-nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Nb5+ atom. In the third O2- site, O2- is bonded to four Sr2+ and one Nb5+ atom to form distorted OSr4Nb square pyramids that share a cornercorner with one OSr4Nb square pyramid, a cornercorner with one OSr3Nb tetrahedra, an edgeedge with one OSr4Nb square pyramid, and an edgeedge with one OSr3Nb tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Nb5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Nb5+ atom. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one Nb5+ atom. In the seventh O2- site, O2- is bonded to four Sr2+ and one Nb5+ atom to form distorted OSr4Nb square pyramids that share a cornercorner with one OSr4Nb square pyramid, corners with four OSr3Nb tetrahedra, an edgeedge with one OSr4Nb square pyramid, and an edgeedge with one OSr3Nb tetrahedra. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four Sr2+ and one Nb5+ atom. In the ninth O2- site, O2- is bonded to three Sr2+ and one Nb5+ atom to form distorted OSr3Nb tetrahedra that share corners with two equivalent OSr4Nb square pyramids and corners with two OSr2Nb2 tetrahedra. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Nb5+ atom. In the eleventh O2- site, O2- is bonded to three Sr2+ and one Nb5+ atom to form distorted OSr3Nb tetrahedra that share corners with three OSr4Nb square pyramids, a cornercorner with one OSr3Nb tetrahedra, and edges with two OSr4Nb square pyramids. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Nb5+ atom. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Nb5+ atom. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Nb5+ atom. In the fifteenth O2- site, O2- is bonded to two Sr2+ and two Nb5+ atoms to form a mixture of distorted edge and corner-sharing OSr2Nb2 tetrahedra. In the sixteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Nb5+ atoms. In the seventeenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Sr2+ and two Nb5+ atoms. In the eighteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Nb5+ atoms. In the nineteenth O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Nb5+ atom. In the twentieth O2- site, O2- is bonded to four Sr2+ and one Nb5+ atom to form distorted OSr4Nb square pyramids that share corners with two equivalent OSr3Nb tetrahedra, a cornercorner with one OSr4Nb trigonal bipyramid, and edges with two equivalent OSr4Nb trigonal bipyramids. In the twenty-first O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Nb5+ atom. In the twenty-second O2- site, O2- is bonded to three Sr2+ and one Nb5+ atom to form distorted OSr3Nb tetrahedra that share corners with two equivalent OSr4Nb square pyramids, corners with two equivalent OSr4Nb trigonal bipyramids, and an edgeedge with one OSr2Nb2 tetrahedra. In the twenty-third O2- site, O2- is bonded to four Sr2+ and one Nb5+ atom to form distorted OSr4Nb trigonal bipyramids that share a cornercorner with one OSr4Nb square pyramid, corners with two equivalent OSr3Nb tetrahedra, and edges with two equivalent OSr4Nb square pyramids. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Nb5+ atom. In the twenty-fifth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Nb5+ atom. In the twenty-sixth O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and one Nb5+ atom. In the twenty-seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Nb5+ atom. In the twenty-eighth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Nb5+ atom. In the twenty-ninth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Nb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3Mg by Materials Project

Sr3Mg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to eight equivalent Sr and four equivalent Mg atoms to form distorted SrSr8Mg4 cuboctahedra that share corners with four equivalent SrSr8Mg4 cuboctahedra, corners with eight equivalent MgSr12 cuboctahedra, edges with twenty-four SrSr8Mg4 cuboctahedra, faces with six equivalent MgSr12 cuboctahedra, and faces with twelve SrSr8Mg4 cuboctahedra. All Sr–Sr bond lengths are 4.05 Å. All Sr–Mg bond lengths are 3.91 Å. In the second Sr site, Sr is bonded to eight Sr and four equivalent Mg atoms to form SrSr8Mg4 cuboctahedra that share corners with twelve equivalent SrSr8Mg4 cuboctahedra, edges with eight equivalent MgSr12 cuboctahedra, edges with sixteen SrSr8Mg4 cuboctahedra, faces with four equivalent MgSr12 cuboctahedra, and faces with fourteen SrSr8Mg4 cuboctahedra. All Sr–Sr bond lengths are 3.91 Å. All Sr–Mg bond lengths are 4.05 Å. Mg is bonded to twelve Sr atoms to form MgSr12 cuboctahedra that share corners with four equivalent MgSr12 cuboctahedra, corners with eight equivalent SrSr8Mg4 cuboctahedra, edges with eight equivalent MgSr12 cuboctahedra, edges with sixteen equivalent SrSr8Mg4 cuboctahedra, faces with four equivalent MgSr12 cuboctahedra, and faces with fourteen SrSr8Mg4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Strontium isoscape of sub-Saharan Africa allows tracing origins of victims of the transatlantic slave trade

Abstract Strontium isotope ( 87 Sr/ 86 Sr) analysis with reference to strontium isotope landscapes (Sr isoscapes) allows reconstructing mobility and migration in archaeology, ecology, and forensics. However, despite the vast potential of research involving 87 Sr/ 86 Sr analysis particularly in Africa, Sr isoscapes remain unavailable for the largest parts of the continent. Here, we measure the 87 Sr/ 86 Sr ratios in 778 environmental samples from 24 African countries and combine this data with published data to model a bioavailable Sr isoscape for sub-Saharan Africa using random forest regression. We demonstrate the efficacy of this Sr isoscape, in combination with other lines of evidence, to trace the African roots of individuals from historic slavery contexts, particularly those with highly radiogenic 87 Sr/ 86 Sr ratios uncommon in the African Diaspora. Our study provides an extensive African 87 Sr/ 86 Sr dataset which includes scientifically marginalized regions of Africa, with significant implications for the archaeology of the transatlantic slave trade, wildlife ecology, conservation, and forensics.

Science & Technology - Other Topics↗
DOE OSTI2020

Materials Data on Sr5Al9 by Materials Project

Sr5Al9 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 6-coordinate geometry to six equivalent Al atoms. All Sr–Al bond lengths are 3.71 Å. In the second Sr site, Sr is bonded in a 1-coordinate geometry to ten Al atoms. There are a spread of Sr–Al bond distances ranging from 3.31–3.45 Å. In the third Sr site, Sr is bonded in a 12-coordinate geometry to twelve Al atoms. There are a spread of Sr–Al bond distances ranging from 3.37–3.44 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Sr and six equivalent Al atoms to form edge-sharing AlSr6Al6 cuboctahedra. All Al–Al bond lengths are 2.92 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to seven Sr and three equivalent Al atoms. All Al–Al bond lengths are 2.72 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to five Sr and six Al atoms. There are two shorter (2.86 Å) and two longer (3.00 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrCuO3 by Materials Project

SrCuO3 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.92 Å. In the second Sr site, Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with two equivalent SrO12 cuboctahedra, faces with two equivalent SrO12 cuboctahedra, and faces with eight CuO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.63–2.77 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded to six O atoms to form CuO6 octahedra that share corners with six CuO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Cu–O bond distances ranging from 1.93–2.00 Å. In the second Cu site, Cu is bonded to six O atoms to form CuO6 octahedra that share corners with four CuO6 octahedra, an edgeedge with one CuO6 octahedra, and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–14°. There are a spread of Cu–O bond distances ranging from 1.94–1.96 Å. In the third Cu site, Cu is bonded to six O atoms to form CuO6 octahedra that share corners with four CuO6 octahedra, an edgeedge with one CuO6 octahedra, and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 2–13°. There are a spread of Cu–O bond distances ranging from 1.94–1.96 Å. There are six inequivalent O sites. In the first O site, O is bonded to four Sr and two equivalent Cu atoms to form distorted OSr4Cu2 octahedra that share corners with twelve OSr4Cu2 octahedra, edges with four OSr3Cu2 square pyramids, and faces with eight OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O site, O is bonded to three Sr and two equivalent Cu atoms to form distorted OSr3Cu2 square pyramids that share corners with eight equivalent OSr4Cu2 octahedra, corners with five OSr3Cu2 square pyramids, edges with two equivalent OSr4Cu2 octahedra, and faces with four equivalent OSr4Cu2 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third O site, O is bonded to three Sr and two equivalent Cu atoms to form distorted OSr3Cu2 square pyramids that share corners with eight equivalent OSr4Cu2 octahedra, corners with five OSr3Cu2 square pyramids, edges with two equivalent OSr4Cu2 octahedra, and faces with four equivalent OSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 58–59°. In the fourth O site, O is bonded to four Sr and two Cu atoms to form distorted OSr4Cu2 octahedra that share corners with eleven OSr4Cu2 octahedra, corners with four equivalent OSr3Cu2 square pyramids, edges with three OSr4Cu2 octahedra, faces with five OSr4Cu2 octahedra, and faces with two equivalent OSr3Cu2 square pyramids. The corner-sharing octahedra tilt angles range from 0–63°. In the fifth O site, O is bonded in a distorted L-shaped geometry to four equivalent Sr and two Cu atoms. In the sixth O site, O is bonded to four Sr and two Cu atoms to form distorted OSr4Cu2 octahedra that share corners with eleven OSr4Cu2 octahedra, corners with four equivalent OSr3Cu2 square pyramids, edges with three OSr4Cu2 octahedra, faces with five OSr4Cu2 octahedra, and faces with two equivalent OSr3Cu2 square pyramids. The corner-sharing octahedra tilt angles range from 0–63°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr4In13Au9 by Materials Project

Sr4Au9In13 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to six Au and six In atoms. There are two shorter (3.48 Å) and four longer (3.58 Å) Sr–Au bond lengths. There are two shorter (3.63 Å) and four longer (3.64 Å) Sr–In bond lengths. In the second Sr site, Sr is bonded in a 12-coordinate geometry to six equivalent Au atoms. All Sr–Au bond lengths are 3.49 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are a spread of Au–In bond distances ranging from 2.70–2.86 Å. In the second Au site, Au is bonded in a 8-coordinate geometry to two equivalent Sr and six In atoms. There are two shorter (2.86 Å) and four longer (2.96 Å) Au–In bond lengths. In the third Au site, Au is bonded in a 9-coordinate geometry to two equivalent Sr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.85–2.95 Å. There are four inequivalent In sites. In the first In site, In is bonded to two equivalent Sr and four Au atoms to form a mixture of distorted face, edge, and corner-sharing InSr2Au4 tetrahedra. In the second In site, In is bonded in a 5-coordinate geometry to five Au atoms. In the third In site, In is bonded to four Au atoms to form a mixture of edge and corner-sharing InAu4 tetrahedra. In the fourth In site, In is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr8In4Cu3N5 by Materials Project

Sr8Cu3In4N5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 3-coordinate geometry to three In and three equivalent N atoms. There are two shorter (3.61 Å) and one longer (4.02 Å) Sr–In bond lengths. There are one shorter (2.52 Å) and two longer (2.64 Å) Sr–N bond lengths. In the second Sr site, Sr is bonded in a 3-coordinate geometry to two equivalent In and three N atoms. Both Sr–In bond lengths are 3.67 Å. There are two shorter (2.66 Å) and one longer (2.67 Å) Sr–N bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a linear geometry to two equivalent N atoms. Both Cu–N bond lengths are 1.89 Å. In the second Cu site, Cu is bonded in a linear geometry to two equivalent N atoms. Both Cu–N bond lengths are 1.93 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to six Sr and four equivalent In atoms. All In–In bond lengths are 3.11 Å. In the second In site, In is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. The In–In bond length is 3.20 Å. There are two inequivalent N sites. In the first N site, N is bonded to four equivalent Sr and two equivalent Cu atoms to form corner-sharing NSr4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second N site, N is bonded to five Sr and one Cu atom to form NSr5Cu octahedra that share corners with three NSr4Cu2 octahedra and edges with four equivalent NSr5Cu octahedra. The corner-sharing octahedra tilt angles range from 2–61°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr13Mn8O30 by Materials Project

Sr13Mn8O30 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are thirteen inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.79 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–3.02 Å. In the third Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–3.07 Å. In the fourth Sr2+ site, Sr2+ is bonded to five O2- atoms to form distorted SrO5 trigonal bipyramids that share a cornercorner with one SrO6 pentagonal pyramid, a cornercorner with one MnO4 tetrahedra, a cornercorner with one MnO5 trigonal bipyramid, and a cornercorner with one OSr3O trigonal pyramid. There are a spread of Sr–O bond distances ranging from 2.36–2.74 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.99 Å. In the sixth Sr2+ site, Sr2+ is bonded to six O2- atoms to form distorted SrO6 pentagonal pyramids that share a cornercorner with one MnO4 tetrahedra, a cornercorner with one SrO5 trigonal bipyramid, a cornercorner with one MnO5 trigonal bipyramid, and edges with two MnO5 trigonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.47–2.67 Å. In the seventh Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–3.10 Å. In the eighth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.42–2.78 Å. In the ninth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–2.69 Å. In the tenth Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–3.08 Å. In the eleventh Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–3.03 Å. In the twelfth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.88 Å. In the thirteenth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–3.07 Å. There are eight inequivalent Mn+4.25+ sites. In the first Mn+4.25+ site, Mn+4.25+ is bonded to five O2- atoms to form corner-sharing MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.82–2.12 Å. In the second Mn+4.25+ site, Mn+4.25+ is bonded to four O2- atoms to form MnO4 tetrahedra that share a cornercorner with one SrO6 pentagonal pyramid, a cornercorner with one SrO5 trigonal bipyramid, and a cornercorner with one MnO5 trigonal bipyramid. There are a spread of Mn–O bond distances ranging from 1.85–2.10 Å. In the third Mn+4.25+ site, Mn+4.25+ is bonded to five O2- atoms to form distorted MnO5 trigonal bipyramids that share a cornercorner with one MnO4 tetrahedra, corners with two MnO5 trigonal bipyramids, and an edgeedge with one SrO6 pentagonal pyramid. There are a spread of Mn–O bond distances ranging from 1.89–2.11 Å. In the fourth Mn+4.25+ site, Mn+4.25+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.87–1.92 Å. In the fifth Mn+4.25+ site, Mn+4.25+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Mn–O bond distances ranging from 1.82–2.00 Å. In the sixth Mn+4.25+ site, Mn+4.25+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share a cornercorner with one SrO5 trigonal bipyramid, a cornercorner with one MnO5 trigonal bipyramid, an edgeedge with one SrO6 pentagonal pyramid, and an edgeedge with one MnO5 trigonal bipyramid. There are a spread of Mn–O bond distances ranging from 1.82–1.97 Å. In the seventh Mn+4.25+ site, Mn+4.25+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share a cornercorner with one SrO6 pentagonal pyramid and an edgeedge with one MnO5 trigonal bipyramid. There are a spread of Mn–O bond distances ranging from 1.82–1.96 Å. In the eighth Mn+4.25+ site, Mn+4.25+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mn–O bond distances ranging from 1.82–2.47 Å. There are thirty inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Sr2+ and one Mn+4.25+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Sr2+ and one Mn+4.25+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Mn+4.25+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Mn+4.25+ atoms. In the fifth O2- site, O2- is bonded to five Sr2+ atoms to form OSr5 trigonal bipyramids that share a cornercorner with one OSr5 trigonal bipyramid and an edgeedge with one OSr4Mn trigonal bipyramid. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Mn+4.25+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Mn+4.25+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+, one Mn+4.25+, and one O2- atom. The O–O bond length is 1.46 Å. In the ninth O2- site, O2- is bonded in a distorted T-shaped geometry to two Sr2+ and one Mn+4.25+ atom. In the tenth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Sr2+ and two Mn+4.25+ atoms. In the eleventh O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Mn+4.25+ atoms. In the twelfth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one Mn+4.25+ atom. In the thirteenth O2- site, O2- is bonded to three Sr2+ and one O2- atom to form distorted OSr3O trigonal pyramids that share a cornercorner with one SrO5 trigonal bipyramid, corners with two OSr5 trigonal bipyramids, and an edgeedge with one OSr4MnO octahedra. The O–O bond length is 1.52 Å. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Mn+4.25+ atoms. In the fifteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+, one Mn+4.25+, and one O2- atom. The O–O bond length is 1.47 Å. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to two Sr2+, one Mn+4.25+, and one O2- atom. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Mn+4.25+ atoms. In the eighteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Mn+4.25+ atoms. In the nineteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+ and two Mn+4.25+ atoms. In the twentieth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Mn+4.25+ atom. In the twenty-first O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Mn+4.25+ atoms. In the twenty-second O2- site, O2- is bonded to two Sr2+ and two Mn+4.25+ atoms to form distorted edge-sharing OSr2Mn2 trigonal pyramids. In the twenty-third O2- site, O2- is bonded in a 1-coordinate geometry to three Sr2+ and one Mn+4.25+ atom. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and two Mn+4.25+ atoms. In the twenty-fifth O2- site, O2- is bonded to five Sr2+ atoms to form distorted OSr5 trigonal bipyramids that share corners with two equivalent OSr4MnO octahedra, a cornercorner with one OSr5 trigonal bipyramid, a cornercorner with one OSr3O trigonal pyramid, an edgeedge with one OSr4Mn trigonal bipyramid, and an edgeedge with one OSr2Mn2 trigonal pyramid. The corner-sharing octahedra tilt angles range from 40–52°. In the twenty-sixth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one O2- atom. In the twenty-seventh O2- site, O2- is bonded in a 5-coordinate geometry to five Sr2+ atoms. In the twenty-eighth O2- site, O2- is bonded to four Sr2+, one Mn+4.25+, and one O2- atom to form distorted OSr4MnO octahedra that share corners with three OSr5 trigonal bipyramids and an edgeedge with one OSr3O trigonal pyramid. In the twenty-ninth O2- site, O2- is bonded to four Sr2+ and one Mn+4.25+ atom to form distorted OSr4Mn trigonal bipyramids that share a cornercorner with one OSr4MnO octahedra, a cornercorner with one OSr3O trigonal pyramid, and edges with two OSr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 46°. In the thirtieth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Mn+4.25+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3Ca(FeO3)4 by Materials Project

Sr3Ca(FeO3)4 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with twelve SrO12 cuboctahedra, faces with two equivalent CaO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. There are four shorter (2.75 Å) and eight longer (2.76 Å) Sr–O bond lengths. In the second Sr site, Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, corners with eight equivalent CaO12 cuboctahedra, faces with six SrO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. There are four shorter (2.75 Å) and eight longer (2.78 Å) Sr–O bond lengths. In the third Sr site, Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with twelve SrO12 cuboctahedra, faces with two equivalent SrO12 cuboctahedra, faces with four equivalent CaO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. All Sr–O bond lengths are 2.75 Å. Ca is bonded to twelve O atoms to form CaO12 cuboctahedra that share corners with four equivalent CaO12 cuboctahedra, corners with eight equivalent SrO12 cuboctahedra, faces with six SrO12 cuboctahedra, and faces with eight equivalent FeO6 octahedra. There are eight shorter (2.72 Å) and four longer (2.75 Å) Ca–O bond lengths. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra, faces with two equivalent CaO12 cuboctahedra, and faces with six SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Fe–O bond distances ranging from 1.93–1.96 Å. There are three inequivalent O sites. In the first O site, O is bonded to three Sr, one Ca, and two equivalent Fe atoms to form a mixture of distorted corner, edge, and face-sharing OSr3CaFe2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second O site, O is bonded to four Sr and two equivalent Fe atoms to form distorted OSr4Fe2 octahedra that share corners with twenty OSr3CaFe2 octahedra, edges with four equivalent OSr4Fe2 octahedra, and faces with eight equivalent OSr3CaFe2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. In the third O site, O is bonded in a distorted linear geometry to two equivalent Sr, two equivalent Ca, and two equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaSr2Np by Materials Project

BaSr2Np crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Np atoms. All Ba–Sr bond lengths are 3.99 Å. All Ba–Np bond lengths are 3.99 Å. There are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Sr atoms. All Sr–Sr bond lengths are 3.99 Å. In the second Sr site, Sr is bonded to four equivalent Sr and four equivalent Np atoms to form distorted edge-sharing SrSr4Np4 tetrahedra. All Sr–Np bond lengths are 3.99 Å. Np is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Sr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2Al3In by Materials Project

Sr2InAl3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to three equivalent In and nine Al atoms. There are one shorter (3.49 Å) and two longer (3.61 Å) Sr–In bond lengths. There are a spread of Sr–Al bond distances ranging from 3.29–3.60 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to three equivalent In and nine Al atoms. There are two shorter (3.32 Å) and one longer (3.42 Å) Sr–In bond lengths. There are a spread of Sr–Al bond distances ranging from 3.35–3.71 Å. In is bonded in a 10-coordinate geometry to six Sr and four Al atoms. There are a spread of In–Al bond distances ranging from 2.88–3.00 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to six Sr, one In, and three Al atoms. There are two shorter (2.81 Å) and one longer (2.84 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to six Sr, two equivalent In, and two Al atoms. The Al–Al bond length is 2.74 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to six Sr, one In, and three Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr4Bi11 by Materials Project

Sr4Bi11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.35–3.80 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.46–3.87 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to three Sr and four Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.12–3.53 Å. In the second Bi site, Bi is bonded in a 6-coordinate geometry to two equivalent Sr and four Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.12–3.48 Å. In the third Bi site, Bi is bonded in a 3-coordinate geometry to three Sr and one Bi atom. In the fourth Bi site, Bi is bonded in a distorted single-bond geometry to two Sr and two Bi atoms. In the fifth Bi site, Bi is bonded in a 1-coordinate geometry to three Sr and one Bi atom. In the sixth Bi site, Bi is bonded in a 8-coordinate geometry to four Sr and two equivalent Bi atoms.

36 MATERIALS SCIENCE↗